SCHEMBL295869

SCHEMBL295869

c1ccc2c(c1)COPOC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
HTR2C P28335 1/20 0.32
OXTR P30559 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9862047 0.78 MAOA (0.39) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL9567365 0.71 MAOB (0.39) MAOAMAOBTSHRCYP1A2NPC1
SCHEMBL4486486 0.71 TSHR (0.42) MAOAMAOBTSHRCA1CA2
SCHEMBL29471383 0.71
SCHEMBL59871 0.71
SCHEMBL30473446 0.71 TSHR (0.42) MAOAMAOBTSHRCA1CA2
Ammonia Solution, Strong SCHEMBL23320033 0.69 MAOA (0.40) MAOAMAOBTSHRCA1CA2
SCHEMBL16439994 0.69
SCHEMBL19308401 0.67 MAOA (0.39) MAOAMAOBTSHRCA1CA2
SCHEMBL8535446 0.67 MAOA (0.39) MAOAMAOBTSHRCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511473-B1 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2013-04-17 EP disclosed
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER (CH) 2012-11-01 US disclosed
EP-1594508-B1 NOVEL BICYCLIC COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2012-08-08 EP disclosed
EP-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP disclosed
EP-1622860-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORs NOVARTIS AG (CH) 2012-02-29 EP disclosed
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2011-05-19 US disclosed
US-7902175-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2011-03-08 US disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20060264403-A1 Aminopropanol derivatives NOVARTIS AG (CH) 2006-11-23 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2006-09-21 US disclosed
US-20060166940-A1 Amino-propanol derivatives NOVARTIS AG (CH) 2006-07-27 US disclosed
EP-1377593-B1 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-28 EP disclosed
EP-1594508-A2 NOVEL BICYCLIC COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-11-16 EP disclosed
US-20040248952-A1 Novel bicyclic compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2004-12-09 US disclosed
WO-2004071442-A2 NOVEL BICYCLIC COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-08-26 WO disclosed
US-20040147490-A1 2-Amino-propanol derivatives ALBERT RAINER (CH) 2004-07-29 US disclosed
US-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. IRM LLC (BM) 2004-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 MAOA 3813/4885MAOB 2966/4885TSHR 310/4885
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A MAOA 1936/4885MAOB 1679/4885TSHR 2857/4885
US-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. CD4, HLA-DRB1, MALT1 MAOA 1165/4885MAOB 717/4885TSHR 1306/4885
US-20040248952-A1 Novel bicyclic compounds and compositions S1PR1, S1PR3, S1PR5 MAOA 4038/4885MAOB 3848/4885TSHR 2217/4885
US-20060166940-A1 Amino-propanol derivatives ADRB1, ADRB3, ADRA1D MAOA 3877/4885MAOB 3733/4885TSHR 902/4885
US-20040147490-A1 2-Amino-propanol derivatives CD4, HLA-DRB1, CCR1 MAOA 3700/4885MAOB 3513/4885TSHR 1586/4885
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A MAOA 1936/4885MAOB 1679/4885TSHR 2857/4885
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 MAOA 4186/4885MAOB 3637/4885TSHR 290/4885
US-20060264403-A1 Aminopropanol derivatives ADRB1, ADRA1D, ADRA1A MAOA 1936/4885MAOB 1679/4885TSHR 2857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.